2-(4-aminophenyl)-3-[(4Z)-5-butyl-4-(phenoxymethylidene)cyclohexa-1,5-dien-1-yl]oxy-cyclopropene-1-carboxylate

Systemtic Name: 2-(4-aminophenyl)-3-[(4Z)-5-butyl-4-(phenoxymethylidene)cyclohexa-1,5-dien-1-yl]oxy-cyclopropene-1-carboxylate Openeye Name: 2-(4-aminophenyl)-3-[(4Z)-5-butyl-4-(phenoxymethylene)cyclohexa-1,5-dien-1-yl]oxy-cyclopropene-1-carboxylate CAS Name: 2-(4-aminophenyl)-3-[[(4Z)-5-butyl-4-(phenoxymethylidene)-1-cyclohexa-1,5-dienyl]oxy]-1-cyclopropenecarboxylate IUPAC Name: 2-(4-aminophenyl)-3-[(4Z)-5-butyl-4-(phenoxymethylidene)cyclohexa-1,5-dien-1-yl]oxycyclopropene-1-carboxylate Traditional Name: 2-(4-aminophenyl)-3-[(4Z)-5-butyl-4-(phenoxymethylene)cyclohexa-1,5-dien-1-yl]oxy-cyclopropene-1-carboxylate Formula: C27H26NO4- MolecularWeight: 428.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CCC1=COC2=CC=CC=C2)OC3C(=C3C(=O)[O-])C4=CC=C(C=C4)N

Isomeric SMILES

CCCCC\1=CC(=CC/C1=C/OC2=CC=CC=C2)OC3C(=C3C(=O)[O-])C4=CC=C(C=C4)N

InChI

InChI=1S/C27H27NO4/c1-2-3-7-19-16-23(15-12-20(19)17-31-22-8-5-4-6-9-22)32-26-24(25(26)27(29)30)18-10-13-21(28)14-11-18/h4-6,8-11,13-17,26H,2-3,7,12,28H2,1H3,(H,29,30)/p-1/b20-17-